N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine

C9H20ClN — CID 107887400

IUPACN-(1-chloro-2-methylpropan-2-yl)pentan-2-amine
SMILESCCCC(C)NC(C)(C)CCl
InChIInChI=1S/C9H20ClN/c1-5-6-8(2)11-9(3,4)7-10/h8,11H,5-7H2,1-4H3
InChIKeyZWNCUDNJMQTCFO-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.78
Rot. Bonds5

About N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine

N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine (PubChem CID 107887400) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)pentan-2-amine
PubChem CID107887400
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)pentan-2-amine
SMILESCCCC(C)NC(C)(C)CCl
InChIInChI=1S/C9H20ClN/c1-5-6-8(2)11-9(3,4)7-10/h8,11H,5-7H2,1-4H3
InChIKeyZWNCUDNJMQTCFO-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-(pentan-2-ylamino)butanoic acid
CID 107886489
N-hexan-2-yl-2,4,4-trimethylpentan-2-amine
CID 43788200
(2R)-N-chloropentan-2-amine
CID 88575991
N-(4-methoxybutan-2-yl)-2-methylpentan-2-amine
CID 115920019
1,2-bis[(2S)-pentan-2-yl]hydrazine
CID 92556919
2-(3-methylpentan-3-ylamino)-N-pentan-2-ylpropanamide
CID 106328554
1-chloro-2,2,4-trimethylheptane
CID 66059738
2-methyl-1-(pentan-2-ylamino)propan-2-ol
CID 60885275
4-chloro-3-methyl-N-pentan-2-ylbutan-2-amine
CID 107887573
N-methylpentan-2-amine;hydrochloride
CID 42919600
ethane;(2S)-N-methylpentan-2-amine
CID 143603159
1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine
CID 154626201

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine (CID 107887400) is N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine is CCCC(C)NC(C)(C)CCl.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine?
The InChIKey is ZWNCUDNJMQTCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClN/c1-5-6-8(2)11-9(3,4)7-10/h8,11H,5-7H2,1-4H3.
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine?
N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine has a molecular weight of 177.72 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)pentan-2-amine is sourced from PubChem (CID 107887400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).